Geometry & MOs

Info

ID:	170644
PubChem CID:	75262984
Reduced:	ClOSN7H16C17 (1)
Stoich.:	ABCD7E16F17 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	94.93
Dipole, Da:	8.75
IP(EA), eV:	-8.68(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methyl-6-oxo-1,3-diazinan-2-yl)phenyl]-2-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NN=C2SCC3=CC(=O)N4C(N3)C(CN4)C#N)Cl

DOS

IR

Vibrations